conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd01412

Chemical structure


molecule
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cpd01412


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XKKKKL 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c′]dipyrrole-2(1H)-acetic acid
Identification
ConjuPepDB ID

cpd01412

Smiles
Inchi Key

InChIKey=VYVXPAUMTZCXNG-UHFFFAOYSA-N

Molecular weight

2274.22

Molecular formula

C127H167N13O25

Chemical name
Peptide information
Sequence (one letter)

XKKKKL

Length

6

Peptide name

N/A

External ID
CAS number

656248-89-4

Other information
Application

Synthesis

Additional function

Selfassembly

Pharmacological class

other

Conjugate type

amide

Linker

no

Small molecule

3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c′]dipyrrole-2(1H)-acetic acid

Small molecule CAS

656248-75-8

Structure method

1H NMR, HPLC

NMR solvent

DMSO-d6

Calculated properties
LogP

17.14513

Rotatable bonds

80

H bond donor

9

H bond acceptor

24

Polar surface area (PSA)

493.10000

Citations
ID Title Year Authors Journal DOI

cpdart0217

Zipper-Featured δ-Peptide Foldamers Driven by Donor-Acceptor Interaction. Design, Synthesis, and Characterization

2004

Zhao, Xin; Jia, Mu-Xin; Jiang, Xi-Kui; Wu, Li-Zhu; Li, Zhan-Ting; Chen, Guang-Ju

Journal of Organic Chemistry

..